CID 100040

4'-benzyloxy-2-bromopropiophenone

Structural Information

Molecular Formula
C16H15BrO2
SMILES
CC(C(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2)Br
InChI
InChI=1S/C16H15BrO2/c1-12(17)16(18)14-7-9-15(10-8-14)19-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3
InChIKey
LSQLSCUJBXFBRB-UHFFFAOYSA-N
Compound name
2-bromo-1-(4-phenylmethoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

153
Patents

318.02554 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.03282 166.4
[M+Na]+ 341.01476 175.4
[M-H]- 317.01826 175.0
[M+NH4]+ 336.05936 184.0
[M+K]+ 356.98870 164.3
[M+H-H2O]+ 301.02280 165.1
[M+HCOO]- 363.02374 186.1
[M+CH3COO]- 377.03939 203.1
[M+Na-2H]- 339.00021 170.9
[M]+ 318.02499 185.9
[M]- 318.02609 185.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe